• Product Name2-CYANOMETHYLBENZOIC ACID METHYL ESTER
  • CasNo. 5597-04-6
  • MFC10H9NO2
  • MW175.187
  • Purity
  • Appearance
  • Packing
  • Contact usInquiry

Product Details

CasNo: 5597-04-6

MF: C10H9NO2

Quality Manufacturer Supply Best Quality 5597-04-6 Customized Supply

  • Molecular Formula:C10H9NO2
  • Molecular Weight:175.187
  • Vapor Pressure:0.000336mmHg at 25°C 
  • Melting Point:49°C 
  • Refractive Index:1.53 
  • Boiling Point:319.6 °C at 760 mmHg 
  • Flash Point:149.6 °C 
  • PSA:50.09000 
  • Density:1.141 g/cm3 
  • LogP:1.53928 

2-CYANOMETHYLBENZOIC ACID METHYL ESTER(Cas 5597-04-6) Usage

General Description

2-CYANOMETHYLBENZOIC ACID METHYL ESTER is a chemical compound with the molecular formula C10H9NO2. It is a methyl ester derivative of 2-cyanomethylbenzoic acid, which belongs to the class of benzoic acid derivatives. 2-CYANOMETHYLBENZOIC ACID METHYL ESTER is commonly used as an intermediate in the synthesis of pharmaceuticals, agrochemicals, and other organic compounds. It is a white to off-white solid at room temperature and is usually stored and handled in a dry and well-ventilated area. 2-CYANOMETHYLBENZOIC ACID METHYL ESTER is also known for its potential as a building block in organic chemistry research and is utilized in various chemical reactions, including esterification, amidation, and hydrogenation. Due to its versatile reactivity and functional groups, this compound has a wide range of applications in organic synthesis and production.

InChI:InChI=1/C10H9NO2/c1-13-10(12)9-5-3-2-4-8(9)6-7-11/h2-5H,6H2,1H3

5597-04-6 Relevant articles

Synthesis of 2-(Cyanomethyl)benzoic Esters via Carbon-Carbon Bond Cleavage of Indanones

Meng, Xiangtai,Chen, Dengfeng,Liu, Rui,Jiang, Ping,Huang, Shenlin

, p. 10852 - 10860 (2021/08/20)

A novel synthesis of 2-(cyanomethyl)benz...

Palladium-Catalyzed, ortho-Selective C-H Halogenation of Benzyl Nitriles, Aryl Weinreb Amides, and Anilides

Das, Riki,Kapur, Manmohan

, p. 1114 - 1126 (2018/06/18)

A palladium-catalyzed, ortho-selective C...

Rhodium-catalyzed asymmetric hydrogenation of olefins with PhthalaPhos, a new class of chiral supramolecular ligands

Pignataro, Luca,Boghi, Michele,Civera, Monica,Carboni, Stefano,Piarulli, Umberto,Gennari, Cesare

, p. 1383 - 1400 (2012/03/27)

A library of 19 binol-derived chiral mon...

Phenethyl amides as novel noncovalent inhibitors of hepatitis C virus NS3/4A protease: Discovery, initial SAR, and molecular modeling

Colarusso, Stefania,Koch, Uwe,Gerlach, Benjamin,Steinkühler, Christian,De Francesco, Raffaele,Altamura, Sergio,Matassa, Victor G.,Narjes, Frank

, p. 345 - 348 (2007/10/03)

The discovery of novel, reversible and c...

5597-04-6 Process route

methanol
67-56-1

methanol

3-chloroisoquinolin-1(2H)-one
7742-74-7

3-chloroisoquinolin-1(2H)-one

2-cyanomethylbenzoic acid methyl ester
5597-04-6

2-cyanomethylbenzoic acid methyl ester

1-isoquinolone
491-30-5

1-isoquinolone

3-methoxy-1,2-dihydro-1-isoquinolinone
59048-50-9

3-methoxy-1,2-dihydro-1-isoquinolinone

Conditions
Conditions Yield
With triethylamine; Irradiation;
74%
2.5%
8%
methanol
67-56-1

methanol

3-bromo-2<i>H</i>-isoquinolin-1-one
24623-16-3

3-bromo-2H-isoquinolin-1-one

2-cyanomethylbenzoic acid methyl ester
5597-04-6

2-cyanomethylbenzoic acid methyl ester

1-isoquinolone
491-30-5

1-isoquinolone

3-methoxy-1,2-dihydro-1-isoquinolinone
59048-50-9

3-methoxy-1,2-dihydro-1-isoquinolinone

Conditions
Conditions Yield
With triethylamine; Irradiation;
22%

5597-04-6 Upstream products

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    diazomethane

  • 6627-91-4
    6627-91-4

    2-cyanomethylbenzoic acid

  • 67-56-1
    67-56-1

    methanol

  • 7742-74-7
    7742-74-7

    3-chloroisoquinolin-1(2H)-one

5597-04-6 Downstream products

  • 114254-93-2
    114254-93-2

    2-[2-(2-amino-ethyl)-benzoyl]-3,4-dihydro-2H-isoquinolin-1-one

  • 1196-38-9
    1196-38-9

    3,4-dihydroisoquinolin-1(2H)-one

  • 67519-22-6
    67519-22-6

    α-hydroxy-α'-cyano-o-xylene

  • 771581-77-2
    771581-77-2

    2-(2-aminoethyl)benzoic acid methyl ester

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